5Y3Q
Crystal structure of SARS coronavirus papain-like protease conjugated with beta-mercaptoethanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-29 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 151.412, 33.264, 90.677 |
| Unit cell angles | 90.00, 125.01, 90.00 |
Refinement procedure
| Resolution | 74.270 - 1.650 |
| R-factor | 0.14856 |
| Rwork | 0.147 |
| R-free | 0.18405 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fe8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.258 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.270 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.041 | 0.347 |
| Number of reflections | 45072 | |
| <I/σ(I)> | 29 | 3.6 |
| Completeness [%] | 99.7 | 98.2 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG3350, Bis-Tris propane/citric acid |
